3-azanyl-N-[2,6-di(propan-2-yl)phenyl]-5-tridecylsulfanyl-1,2,4-triazole-4-carboxamide

Systemtic Name: 3-azanyl-N-[2,6-di(propan-2-yl)phenyl]-5-tridecylsulfanyl-1,2,4-triazole-4-carboxamide Openeye Name: 3-amino-N-(2,6-diisopropylphenyl)-5-tridecylsulfanyl-1,2,4-triazole-4-carboxamide CAS Name: 3-amino-N-[2,6-di(propan-2-yl)phenyl]-5-(tridecylthio)-1,2,4-triazole-4-carboxamide IUPAC Name: 3-amino-N-[2,6-di(propan-2-yl)phenyl]-5-tridecylsulfanyl-1,2,4-triazole-4-carboxamide Traditional Name: 3-amino-N-(2,6-diisopropylphenyl)-5-(tridecylthio)-1,2,4-triazole-4-carboxamide Formula: C28H47N5OS MolecularWeight: 501.77068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=NN=C(N1C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCSC1=NN=C(N1C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)N

InChI

InChI=1S/C28H47N5OS/c1-6-7-8-9-10-11-12-13-14-15-16-20-35-28-32-31-26(29)33(28)27(34)30-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H2,29,31)(H,30,34)